SCHEMBL1662921

SCHEMBL1662921

O=Cc1cc(C=O)cc(COCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 1/20 0.43
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CDK4 P11802 2/20 0.41
CCNB1 P14635 2/20 0.41
CCND1 P24385 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
DAO P14920 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 2/20 0.39
AR P10275 2/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
APP P05067 1/20 0.38
NPC1 O15118 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31568503 0.87 MAOA (0.65) TSHRMAOAMAOBALDH1A1CYP2A6
SCHEMBL6522331 0.87 MAOA (0.65) TSHRMAOAMAOBALDH1A1CYP2A6
SCHEMBL7369619 0.84 TSHR (0.62) TSHRMAOAMAOBALDH1A1CYP2A6
SCHEMBL1664699 0.79 MAOA (0.75) MAOAMAOBALDH1A1CCNB2CDK1
SCHEMBL14328706 0.78 MAOA (0.58) TSHRMAOAMAOBALDH1A1CYP2A6
SCHEMBL15986623 0.77 TSHR (0.52) TSHRMAOAMAOBALDH1A1DAO
SCHEMBL27380 0.76 TSHR (1.00) TSHRALDH1A1KDM4EIDO1LMNA
Benzene SCHEMBL27997624 0.76 TSHR (1.00) TSHRALDH1A1KDM4EIDO1LMNA
SCHEMBL5311581 0.76 TSHR (1.00) TSHRALDH1A1KDM4EIDO1LMNA
SCHEMBL578947 0.76 MAOB (0.75) MAOAMAOBALDH1A1CCNB2CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL TSHR 1674/4885MAOA 4470/4885MAOB 4300/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TSHR 1185/4885MAOA 4542/4885MAOB 4439/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TSHR 1185/4885MAOA 4542/4885MAOB 4439/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.